Basic information
- CAS
6938-43-8- Standard SMILES
CCCC(C(=O)OCC)C(C)OC(=O)OCC- InChIKey
TWARFOBPXLKSSL-UHFFFAOYSA-N- Molecular formula
- C12H22O5
- Average molar mass
- 246.3 g/mol
- Monoisotopic mass
- 246.1467238
Names & identifiers
- Preferred name
- Ethyl 2-{1-[(ethoxycarbonyl)oxy]ethyl}pentanoate
- IUPAC
- ethyl 2-(1-ethoxycarbonyloxyethyl)pentanoate
Names & synonyms
6938-43-8ethyl 2-{1-[(ethoxycarbonyl)oxy]ethyl}pentanoateNSC53962SCHEMBL18050586DTXSID30288056NSC-53962DS-0139193,4-dimethoxy-N-(2,3,5-trichloro-4-hydroxy-phenyl)benzamide
Database identifiers
- CAS
6938-43-8- PubChem CID
- 243791
- DTXSID
DTXSID30288056
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 61.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 10
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 239
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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